(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-phenyl-2-pyrrolidino-ethyl)butyramide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CC=C1)N2CCCC2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(C1=CC=CC=C1)N2CCCC2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H33N3O5S/c1-18(2)24(27-34(30,31)20-10-11-22-23(16-20)33-15-14-32-22)25(29)26-17-21(28-12-6-7-13-28)19-8-4-3-5-9-19/h3-5,8-11,16,18,21,24,27H,6-7,12-15,17H2,1-2H3,(H,26,29)/t21?,24-/m0/s1